SCHEMBL3738826

SCHEMBL3738826

CCC[C@@H]1C[C@H](NC(=O)OC(C)(C)C)CC[C@@H]1N1CC[C@H](NC(=O)OCc2ccccc2)C1=O

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
CASP3 P42574 1/20 0.43
ALDH1A1 P00352 1/20 0.42
GAA P10253 1/20 0.42
TSHR P16473 1/20 0.41
ADORA2A P29274 1/20 0.41
ADORA1 P30542 1/20 0.41
KDM1A O60341 1/20 0.41
MAOB P27338 1/20 0.41
DRD2 P14416 1/20 0.41
CTSK P43235 2/20 0.40
SYK P43405 1/20 0.40
CTSL P07711 1/20 0.40
CTSB P07858 1/20 0.40
TLR4 O00206 1/20 0.40
PREP P48147 2/20 0.40

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL3738831 1.00 KMT2A (0.44) KMT2AL3MBTL1CASP3ALDH1A1GAA
SCHEMBL3739197 0.93 KMT2A (0.45) KMT2AL3MBTL1CASP3ALDH1A1GAA
SCHEMBL3739199 0.93 KMT2A (0.45) KMT2AL3MBTL1CASP3ALDH1A1GAA
SCHEMBL27667804 0.92 KMT2A (0.45) KMT2AL3MBTL1CASP3ALDH1A1GAA
SCHEMBL4424453 0.92 KMT2A (0.45) KMT2AL3MBTL1CASP3ALDH1A1GAA
SCHEMBL3738941 0.92 KMT2A (0.45) KMT2AL3MBTL1CASP3ALDH1A1GAA
SCHEMBL3738944 0.92 KMT2A (0.45) KMT2AL3MBTL1CASP3ALDH1A1GAA
SCHEMBL3736202 0.90 KMT2A (0.44) KMT2AL3MBTL1CASP3ALDH1A1GAA
SCHEMBL3736203 0.90 KMT2A (0.44) KMT2AL3MBTL1CASP3ALDH1A1GAA
SCHEMBL3736738 0.87 ALDH1A1 (0.47) KMT2AL3MBTL1CASP3ALDH1A1GAA

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7829571-B2 Cyclic derivatives as modulators of chemokine receptor activity BRISTOL-MYERS SQUIBB COMPANY (US) 2010-11-09 US disclosed
US-20090124668-A1 CYCLIC DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY BRISTOL-MYERS SQUIBB COMPANY 2009-05-14 US disclosed
US-7482335-B2 Cyclic derivatives as modulators of chemokine receptor activity BRISTOL-MYERS SQUIBB COMPANY (US) 2009-01-27 US disclosed
US-20070032526-A1 Cyclic derivatives as modulators of chemokine receptor activity CARTER PEROY H 2007-02-08 US disclosed
US-7163937-B2 Cyclic derivatives as modulators of chemokine receptor activity BRISTOL-MYERS SQUIBB COMPANY (US) 2007-01-16 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20070032526-A1 Cyclic derivatives as modulators of chemokine receptor activity CCL11, CCL2, CCR1 KMT2A 4491/4885L3MBTL1 4803/4885CASP3 4375/4885
US-20090124668-A1 CYCLIC DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY CCL11, CCL2, CCR1 KMT2A 4491/4885L3MBTL1 4803/4885CASP3 4375/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.